4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one

C145H160Br2Cl2F3N27O16S5 — CID 160541096

IUPAC4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one
SMILESCN1CCN(c2c(N3CCN(S(=O)(=O)c4ccc(Br)c(Br)c4)CC3)cnn(-c3ccccc3)c2=O)CC1.O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)CCc3cccc4ccccc34)CC2)cnn1-c1ccccc1.O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cnn1-c1ccccc1.O=c1c(NCCCN2CCOCC2)c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cnn1-c1ccccc1.O=c1c(NCCc2ccccc2)c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C32H35N5O3S.C32H37N5O3S.C29H28F3N5O3S.C27H32Cl2N6O4S.C25H28Br2N6O3S/c38-32-31(34-27-12-6-2-7-13-27)30(24-33-37(32)28-14-8-3-9-15-28)35-20-22-36(23-21-35)41(39,40)29-18-16-26(17-19-29)25-10-4-1-5-11-25;38-32-31(34-27-13-3-1-4-14-27)30(24-33-37(32)28-15-5-2-6-16-28)35-19-21-36(22-20-35)41(39,40)23-18-26-12-9-11-25-10-7-8-17-29(25)26;30-29(31,32)23-10-7-13-25(20-23)41(39,40)36-18-16-35(17-19-36)26-21-34-37(24-11-5-2-6-12-24)28(38)27(26)33-15-14-22-8-3-1-4-9-22;28-23-8-7-22(19-24(23)29)40(37,38)34-13-11-33(12-14-34)25-20-31-35(21-5-2-1-3-6-21)27(36)26(25)30-9-4-10-32-15-17-39-18-16-32;1-29-9-11-31(12-10-29)24-23(18-28-33(25(24)34)19-5-3-2-4-6-19)30-13-15-32(16-14-30)37(35,36)20-7-8-21(26)22(27)17-20/h1,3-5,8-11,14-19,24,27,34H,2,6-7,12-13,20-23H2;2,5-12,15-17,24,27,34H,1,3-4,13-14,18-23H2;1-13,20-21,33H,14-19H2;1-3,5-8,19-20,30H,4,9-18H2;2-8,17-18H,9-16H2,1H3
InChIKeyQWUIJOKIYOJKAY-UHFFFAOYSA-N
MW2985.09 g/mol
LogP20.60
Rot. Bonds37

About 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one

4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one (PubChem CID 160541096) has the molecular formula C145H160Br2Cl2F3N27O16S5 and a molecular weight of 2985.09 g/mol. Its IUPAC name is 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one
PubChem CID160541096
Molecular FormulaC145H160Br2Cl2F3N27O16S5
Molecular Weight2985.09 g/mol
Exact Mass2979.88
IUPAC Name4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one
SMILESCN1CCN(c2c(N3CCN(S(=O)(=O)c4ccc(Br)c(Br)c4)CC3)cnn(-c3ccccc3)c2=O)CC1.O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)CCc3cccc4ccccc34)CC2)cnn1-c1ccccc1.O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cnn1-c1ccccc1.O=c1c(NCCCN2CCOCC2)c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cnn1-c1ccccc1.O=c1c(NCCc2ccccc2)c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C32H35N5O3S.C32H37N5O3S.C29H28F3N5O3S.C27H32Cl2N6O4S.C25H28Br2N6O3S/c38-32-31(34-27-12-6-2-7-13-27)30(24-33-37(32)28-14-8-3-9-15-28)35-20-22-36(23-21-35)41(39,40)29-18-16-26(17-19-29)25-10-4-1-5-11-25;38-32-31(34-27-13-3-1-4-14-27)30(24-33-37(32)28-15-5-2-6-16-28)35-19-21-36(22-20-35)41(39,40)23-18-26-12-9-11-25-10-7-8-17-29(25)26;30-29(31,32)23-10-7-13-25(20-23)41(39,40)36-18-16-35(17-19-36)26-21-34-37(24-11-5-2-6-12-24)28(38)27(26)33-15-14-22-8-3-1-4-9-22;28-23-8-7-22(19-24(23)29)40(37,38)34-13-11-33(12-14-34)25-20-31-35(21-5-2-1-3-6-21)27(36)26(25)30-9-4-10-32-15-17-39-18-16-32;1-29-9-11-31(12-10-29)24-23(18-28-33(25(24)34)19-5-3-2-4-6-19)30-13-15-32(16-14-30)37(35,36)20-7-8-21(26)22(27)17-20/h1,3-5,8-11,14-19,24,27,34H,2,6-7,12-13,20-23H2;2,5-12,15-17,24,27,34H,1,3-4,13-14,18-23H2;1-13,20-21,33H,14-19H2;1-3,5-8,19-20,30H,4,9-18H2;2-8,17-18H,9-16H2,1H3
InChIKeyQWUIJOKIYOJKAY-UHFFFAOYSA-N
XLogP20.60
TPSA444.62 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002985.09
LogP ≤ 520.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one (CID 160541096) is 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one is CN1CCN(c2c(N3CCN(S(=O)(=O)c4ccc(Br)c(Br)c4)CC3)cnn(-c3ccccc3)c2=O)CC1.O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)CCc3cccc4ccccc34)CC2)cnn1-c1ccccc1.O=c1c(NC2CCCCC2)c(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cnn1-c1ccccc1.O=c1c(NCCCN2CCOCC2)c(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cnn1-c1ccccc1.O=c1c(NCCc2ccccc2)c(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one?
The InChIKey is QWUIJOKIYOJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3S.C32H37N5O3S.C29H28F3N5O3S.C27H32Cl2N6O4S.C25H28Br2N6O3S/c38-32-31(34-27-12-6-2-7-13-27)30(24-33-37(32)28-14-8-3-9-15-28)35-20-22-36(23-21-35)41(39,40)29-18-16-26(17-19-29)25-10-4-1-5-11-25;38-32-31(34-27-13-3-1-4-14-27)30(24-33-37(32)28-15-5-2-6-16-28)35-19-21-36(22-20-35)41(39,40)23-18-26-12-9-11-25-10-7-8-17-29(25)26;30-29(31,32)23-10-7-13-25(20-23)41(39,40)36-18-16-35(17-19-36)26-21-34-37(24-11-5-2-6-12-24)28(38)27(26)33-15-14-22-8-3-1-4-9-22;28-23-8-7-22(19-24(23)29)40(37,38)34-13-11-33(12-14-34)25-20-31-35(21-5-2-1-3-6-21)27(36)26(25)30-9-4-10-32-15-17-39-18-16-32;1-29-9-11-31(12-10-29)24-23(18-28-33(25(24)34)19-5-3-2-4-6-19)30-13-15-32(16-14-30)37(35,36)20-7-8-21(26)22(27)17-20/h1,3-5,8-11,14-19,24,27,34H,2,6-7,12-13,20-23H2;2,5-12,15-17,24,27,34H,1,3-4,13-14,18-23H2;1-13,20-21,33H,14-19H2;1-3,5-8,19-20,30H,4,9-18H2;2-8,17-18H,9-16H2,1H3.
What are the key properties of 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one?
4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one has a molecular weight of 2985.09 g/mol, XLogP of 20.60, 37 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-5-[4-(2-naphthalen-1-ylethylsulfonyl)piperazin-1-yl]-2-phenylpyridazin-3-one;4-(cyclohexylamino)-2-phenyl-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one;5-[4-(3,4-dibromophenyl)sulfonylpiperazin-1-yl]-4-(4-methylpiperazin-1-yl)-2-phenylpyridazin-3-one;5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one;2-phenyl-4-(2-phenylethylamino)-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 160541096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).